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CAS 19870-74-7 Methyl cedryl ether molecular structure lightbox
CAS RN: 19870-74-7

Methyl cedryl ether

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 100g In stock Shanghai Inquiry
Batchno.20260412 1kg Out of stock Inquiry
Batchno.20250928 500g In stock Tianjin Inquiry
  • Product code: starshine_CAS19870-74-7
  • Purity/Analytical Methods: >99.0%
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19870-74-7 / (1S,2R,5S,7R,8S)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane

Standard CAS: 19870-74-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
19870-74-7
Multi CAS
No
Molecular Formula
C16H28O
Molecular Weight
236.390000
Exact Mass
236.214016
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@]([C@H](C3)C2(C)C)(C)OC
InChI
InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15+,16+/m1/s1
InChIKey
HRGPYCVTDOECMG-WALBABNVSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.86
TPSA
9.23

LogP / Solubility

WLOGP
4.26
MLOGP
3.76
XLogP3
4.4
Consensus LogP
4.14
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1712 of 1760 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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